>compound D-Pantothenic Acid_D-Pantothenic Acid
#instrument UPLC Q-Tof Premier, Waters
>formula C9H17NO5
#smiles OCC(C)(C)[C@@H](O)C(=O)NCCC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100728.txt;LC-ESI-QTOF_train_data/PR100295.txt
>charge -1
>ionization [M-H]-
>parentmass 218.10287

>collision 5-60
71.0153 104.3
71.0514 305.4
88.041 1108.0
99.0458 105.8
146.0824 694.2
218.1029 575.3

>collision 5-60
70.0298 136.0
85.0652 131.8
90.0556 973.8
98.024 254.8
116.0353 149.8
124.0766 245.7
184.0981 278.3
202.1085 418.9
220.1185 632.6

